SCHEMBL29950673

SCHEMBL29950673

COC1C(c2cccnc2)=CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.47
▸ GBA1 P04062 1/20 0.44
▸ KIT P10721 1/20 0.42
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30382486 0.75 GPR119 (0.47) GPR119GBA1KITKDM1AUSP30
SCHEMBL24154706 0.75 GPR119 (0.47) GPR119GBA1KITKDM1AUSP30
SCHEMBL28369668 0.74 GPR119 (0.51) GPR119GBA1KITGRM5GRM1
SCHEMBL30269885 0.74 GPR119 (0.51) GPR119GBA1KITGRM5GRM1
SCHEMBL16272002 0.74 GRM1 (0.53) GPR119GBA1KITGRM5GRM1
SCHEMBL24700150 0.73 USP30 (0.43) GPR119USP30UCHL1KDM4E
SCHEMBL16271998 0.73 GPR119 (0.47) GPR119GBA1KITGRM5GRM1
SCHEMBL16272020 0.71 KDM4E (0.51) GPR119GBA1KITGRM5GRM1
SCHEMBL30502034 0.71 GPR119 (0.47) GPR119GBA1NAMPTKDM4EMEN1
SCHEMBL30213796 0.71 GPR119 (0.47) GPR119GBA1NAMPTKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279765-A 1H-pyrazolo [4,3-d ] pyrimidine compounds as Toll-like receptor 7 (TLR 7) agonists 百时美施贵宝公司 2022-11-01 — — CN disclosed
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